SCHEMBL10129070

SCHEMBL10129070

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1NCCC1CCCO1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 12/20 0.65
ALK Q9UM73 12/20 0.65
CAMK1D Q8IU85 1/20 0.41
AXL P30530 5/20 0.41
ETV6 P41212 4/20 0.41
RET P07949 4/20 0.39
ROS1 P08922 4/20 0.39
FLT3 P36888 4/20 0.39
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10129053 0.92 EML4 (0.67) EML4ALKCAMK1DAXLETV6
SCHEMBL10129052 0.92 EML4 (0.67) EML4ALKCAMK1DAXLETV6
SCHEMBL10129065 0.87 EML4 (0.64) EML4ALKAXLETV6RET
SCHEMBL10129072 0.83 EML4 (0.62) EML4ALKCAMK1DAXLETV6
SCHEMBL10129044 0.83 EML4 (0.63) EML4ALKCAMK1DAXLETV6
SCHEMBL10129082 0.83 EML4 (0.67) EML4ALKCAMK1DAXLETV6
SCHEMBL10129074 0.83 EML4 (0.67) EML4ALKCAMK1DSYK
SCHEMBL10129039 0.82 EML4 (0.62) EML4ALKCAMK1DAXLETV6
SCHEMBL10156862 0.82 EML4 (0.66) EML4ALKCAMK1DAXLETV6
SCHEMBL10129080 0.82 ALK (0.66) EML4ALKCAMK1DAXLETV6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885CAMK1D 1430/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885CAMK1D 1430/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.